9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole

C48H41N5O2 — CID 176783710

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole
SMILESCc1cc(C)c(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc4c3oc3ccccc34)c3ncccc32)c(C)c1
InChIInChI=1S/C48H41N5O2/c1-29-22-30(2)45(31(3)23-29)51-28-52(47-40(51)15-11-20-50-47)42-27-34(25-38-37-13-8-10-16-43(37)55-46(38)42)54-33-17-18-36-35-12-7-9-14-39(35)53(41(36)26-33)44-24-32(19-21-49-44)48(4,5)6/h7-27H,28H2,1-6H3
InChIKeyMXXNFZQZMISSAJ-UHFFFAOYSA-N
MW719.89 g/mol
LogP12.74
Rot. Bonds5

About 9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole

9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole (PubChem CID 176783710) has the molecular formula C48H41N5O2 and a molecular weight of 719.89 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole
PubChem CID176783710
Molecular FormulaC48H41N5O2
Molecular Weight719.89 g/mol
Exact Mass719.33
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole
SMILESCc1cc(C)c(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc4c3oc3ccccc34)c3ncccc32)c(C)c1
InChIInChI=1S/C48H41N5O2/c1-29-22-30(2)45(31(3)23-29)51-28-52(47-40(51)15-11-20-50-47)42-27-34(25-38-37-13-8-10-16-43(37)55-46(38)42)54-33-17-18-36-35-12-7-9-14-39(35)53(41(36)26-33)44-24-32(19-21-49-44)48(4,5)6/h7-27H,28H2,1-6H3
InChIKeyMXXNFZQZMISSAJ-UHFFFAOYSA-N
XLogP12.74
TPSA59.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole with MolForge

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Related Compounds

2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783845
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,6-dimethyl-4-phenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176783142
9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]dibenzothiophen-2-yl]oxycarbazole
CID 176782135
12-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-[1]benzofuro[2,3-a]carbazole
CID 176782972
5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole
CID 176782965
9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole
CID 169066036
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176782573
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole
CID 158770762
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-3-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176783428
2-[3-[1-[4-(4-tert-butyl-2,6-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782206
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176783417

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole (CID 176783710) is 9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole is Cc1cc(C)c(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc4c3oc3ccccc34)c3ncccc32)c(C)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole?
The InChIKey is MXXNFZQZMISSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N5O2/c1-29-22-30(2)45(31(3)23-29)51-28-52(47-40(51)15-11-20-50-47)42-27-34(25-38-37-13-8-10-16-43(37)55-46(38)42)54-33-17-18-36-35-12-7-9-14-39(35)53(41(36)26-33)44-24-32(19-21-49-44)48(4,5)6/h7-27H,28H2,1-6H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole has a molecular weight of 719.89 g/mol, XLogP of 12.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole is sourced from PubChem (CID 176783710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).